PM7 Accuracy

benzoyl chloride   2385 Benzoyl chloride

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    #  Species Formula
  2375 Lithium hypochloriteLiOCl
  2376 LiCl.H2OH2LiOCl
  2377 LiCl.H2O (Geo)H2LiOCl
  2378 BOClBOCl
  2379 Carbonyl chloride (COCl)COCl
  2380 Acetyl chlorideC2H3OCl
  2381 Acetyl chloride (Geo)C2H3OCl
  2382 3-ChlorophenolC6H5OCl
  2383 4-ChlorophenolC6H5OCl
  2384 2-ChlorobenzaldehydeC7H5OCl
  2385 Benzoyl chloride C7H5OCl
  2386 Nitrosyl chlorideNOCl
  2387 NOCl (Geo)NOCl
  2388 Chlorine dioxideO2Cl
  2389 Chloroacetic acidC2H3O2Cl
  2390 DimethoxychloroboraneH6BC2O2Cl
  2391 2-Chlorobenzoic acidC7H5O2Cl
  2392 3-Chlorobenzoic acidC7H5O2Cl
  2393 4-Chlorobenzoic acidC7H5O2Cl
  2394 Nitryl chlorideNO2Cl
  2395 NO2Cl (Geo)NO2Cl


DHf: -26.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Benzoyl chloride
 H=-26.1 HR=C&P1970 I=9.9 IR=LLNBS82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     2.78671920  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39401578  1   59.9505539  1    0.0000000  0     1     2     0
  C     1.39537568  1   60.1384684  1  179.9705163  1     1     2     3
  C     1.39349021  1  120.2335942  1   -0.0844227  1     3     1     2
  C     1.39097192  1  119.9948091  1   -0.1505067  1     4     1     2
  H     1.09011452  1  179.9293378  1  -69.3455965  1     1     2     3
  H     1.08952996  1  119.9735289  1  179.9571371  1     3     1     2
  H     1.08939783  1  120.0108085  1  179.9829491  1     4     1     2
  H     1.09300719  1  119.2225682  1  179.7571788  1     5     3     1
  H     1.09341992  1  120.2398949  1 -179.5367960  1     6     4     1
  C     1.45945275  1  176.7109733  1 -166.4415562  1     2     1     3
  O     1.18798630  1  129.2773735  1 -160.1585867  1    12     2     5
 Cl     1.77890917  1  114.2290750  1   21.1117640  1    12     2     5